Glycoside
...
GD013933

Name:
None

Formula:
C52H86O17N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N=CCCCCCCCCCOc3ccc([N+](=O)[O-])cc3OC)[C@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N=CCCCCCCCCCOc3ccc([N+](=O)[O-])cc3OC)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 5 FractionCSP3: 0.83
AlogP: 6.41 Num_rotatable_bonds: 20
MolWt: 1011.26 Num_heavy_atoms: 71
TPSA: 264.63 NumAromaticRings: 1

Unique Aglycone
AD10329
Formula: C44H72O14N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N=CCCCCCCCCCOc3ccc([N+](=O)[O-])cc3OC)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 16 RingCount: 3
HBD: 5 FractionCSP3: 0.8
AlogP: 5.49 Num_rotatable_bonds: 17
MolWt: 853.06 Num_heavy_atoms: 60
TPSA: 236.94 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O